SCHEMBL21584477

SCHEMBL21584477

COc1c(Cl)ccc(-c2nc(NCc3ccco3)c(Cl)c(C(=O)OCc3ccccc3)n2)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 4/20 0.41
MAPK1 P28482 3/20 0.41
HPGD P15428 3/20 0.41
HIF1A Q16665 2/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
AQP1 P29972 1/20 0.38
POLB P06746 4/20 0.38
RAB9A P51151 1/20 0.38
CTNNB1 P35222 1/20 0.37
TCF7L2 Q9NQB0 1/20 0.37
L3MBTL1 Q9Y468 4/20 0.36
APEX1 P27695 1/20 0.36
F2 P00734 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21584337 0.94 LMNA (0.41) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL2683873 0.90 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL1610274 0.90 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL22181356 0.89 MAPT (0.42) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL1609507 0.88 MAPT (0.44) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL21584389 0.85 CYP1A2 (0.36) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL21584408 0.85 LMNA (0.43) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL21584372 0.85 POLB (0.36) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL21584404 0.84 CYP1A2 (0.36) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL21584461 0.83 KDM4E (0.40) ALDH1A1MEN1KMT2AMAPTMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019227771-A1 SUBSTITUTED PYRIMIDINE-4-FORMIC ACID DERIVATIVE, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 (CN) 2019-12-05 WO disclosed